4-acetyl-1-(2-ethylhexyl)-3-hydroxy-5-(2-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
4-acetyl-1-(2-ethylhexyl)-3-hydroxy-5-(2-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
4-acetyl-1-(2-ethylhexyl)-3-hydroxy-5-(2-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
Compound ID: | Y510-5038 |
Compound Name: | 4-acetyl-1-(2-ethylhexyl)-3-hydroxy-5-(2-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one |
Molecular Weight: | 359.46 |
Molecular Formula: | C21 H29 N O4 |
Smiles: | CCCCC(CC)CN1C(C(=C(C1=O)O)C(C)=O)c1ccccc1OC |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.5152 |
logD: | 4.5134 |
logSw: | -4.387 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 53.089 |
InChI Key: | MZTQFNCSNRDZOG-UHFFFAOYSA-N |